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2,5-Dimethyl-3-pyrroline, mixture of cis and trans

2,5-Dimethyl-3-pyrroline, mixture of cis and trans - CAS 59480-92-1

Catalog:	BB030395
Product Name:	2,5-Dimethyl-3-pyrroline, mixture of cis and trans
CAS:	59480-92-1
Synonyms:	2,5-dimethyl-2,5-dihydro-1H-pyrrole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,5-dimethyl-2,5-dihydro-1H-pyrrole
Description:	2,5-Dimethyl-3-pyrroline, mixture of cis and trans (CAS# 59480-92-1) is a useful research chemical.
Molecular Weight:	97.16
Molecular Formula:	C6H11N
Canonical SMILES:	CC1C=CC(N1)C
InChI:	InChI=1S/C6H11N/c1-5-3-4-6(2)7-5/h3-7H,1-2H3
InChI Key:	TXQDHQBSNAJSHQ-UHFFFAOYSA-N
Boiling Point:	102-105 °C (lit.)
Density:	0.824 g/cm³
Appearance:	Clear colorless to slightly yellow liquid
LogP:	1.25160

Publication Number	Title	Priority Date
JP-2018178009-A	Adhesive composition for semiconductor device and adhesive tape for semiconductor device	20170417
JP-6876499-B2	Adhesive composition for semiconductor devices and adhesive tape for semiconductor devices	20170417
AU-2016233595-A1	Fluorogenic and chromogenic substrate	20150313
EP-3268489-A1	Fluorogenic and chromogenic substrate	20150313
US-2016266045-A1	Fluorogenic and chromogenic substrate	20150313

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Related Functional Groups

Pyrrolines

[73286-71-2]
N-Boc-2,3-dihydro-1H-pyrrole
[69778-83-2]
4-Methoxy-3-pyrrolin-2-one
[590374-61-1]
1-Acetyl-2-amino-4-oxo-4,5-dihydropyrrole-3-carbonitrile
[6913-92-4]
1-Benzyl-3-pyrroline
[872-32-2]
2-Methyl-1-pyrroline
[10135-38-3]
3,3,5,5-Tetramethyl-1-pyrroline N-oxide

GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	76.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	97.089149355
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	97.089149355
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8